SCHEMBL2961470

SCHEMBL2961470

[c]1cc(-c2ccccc2)sc1-c1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.36
CYP2C9 P11712 2/20 0.36
CYP2E1 P05181 2/20 0.36
CYP2A6 P11509 2/20 0.36
CYP2B6 P20813 2/20 0.36
CYP2C19 P33261 1/20 0.36
HSD17B1 P14061 1/20 0.36
HSD17B2 P37059 1/20 0.36
IKBKB O14920 2/20 0.35
CYP1A2 P05177 1/20 0.35
BTK Q06187 1/20 0.35
ALDH1A1 P00352 4/20 0.35
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
RAB9A P51151 2/20 0.34
POLB P06746 1/20 0.34
KDM4E B2RXH2 3/20 0.34
MAPT P10636 2/20 0.34
KDR P35968 2/20 0.34
LMNA P02545 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2965778 0.82 CYP1A2 (0.41) CYP2C9CYP2C19HSD17B1HSD17B2CYP1A2
SCHEMBL7040288 0.77 CYP2A6 (0.36) CYP3A4CYP2C9CYP2E1CYP2A6CYP2B6
SCHEMBL8919335 0.76 CYP3A4 (0.44) CYP3A4CYP2C9CYP2E1CYP2A6CYP2B6
SCHEMBL3931046 0.76 SMN1; SMN2 (0.38) CYP2E1CYP2A6CYP2B6ALDH1A1MEN1
SCHEMBL498650 0.66 HSD17B1 (0.65) CYP3A4CYP2C9CYP2E1CYP2A6CYP2B6
SCHEMBL7591649 0.64 HSD17B1 (0.62) CYP3A4CYP2C9CYP2E1CYP2A6CYP2B6
SCHEMBL2240182 0.64 HSD17B1 (0.62) CYP3A4CYP2C9CYP2E1CYP2A6CYP2B6
SCHEMBL7587610 0.64 HSD17B1 (0.62) CYP3A4CYP2C9CYP2E1CYP2A6CYP2B6
SCHEMBL2241368 0.64 HSD17B1 (0.62) CYP3A4CYP2C9CYP2E1CYP2A6CYP2B6
SCHEMBL2242666 0.64 HSD17B1 (0.62) CYP3A4CYP2C9CYP2E1CYP2A6CYP2B6

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100025661-A1 Luminescent material and organic electroluminescent device using the same JNC CORPORATION (JP) 2010-02-04 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100025661-A1 Luminescent material and organic electroluminescent device using the same TRPV3, TRPC3, HVCN1 CYP3A4 1505/4885CYP2C9 834/4885CYP2E1 947/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.